N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide

C21H28N2O2S — CID 43005713

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
SMILESCOc1cccc(C(CNC(=O)CCCc2cccs2)N2CCCC2)c1
InChIInChI=1S/C21H28N2O2S/c1-25-18-8-4-7-17(15-18)20(23-12-2-3-13-23)16-22-21(24)11-5-9-19-10-6-14-26-19/h4,6-8,10,14-15,20H,2-3,5,9,11-13,16H2,1H3,(H,22,24)
InChIKeyJTNQSLOCKPRNQF-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.03
Rot. Bonds9

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide (PubChem CID 43005713) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
PubChem CID43005713
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
SMILESCOc1cccc(C(CNC(=O)CCCc2cccs2)N2CCCC2)c1
InChIInChI=1S/C21H28N2O2S/c1-25-18-8-4-7-17(15-18)20(23-12-2-3-13-23)16-22-21(24)11-5-9-19-10-6-14-26-19/h4,6-8,10,14-15,20H,2-3,5,9,11-13,16H2,1H3,(H,22,24)
InChIKeyJTNQSLOCKPRNQF-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
CID 51947652
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 111115545
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 134057342
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982225
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
3-cyclohexyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 43005794
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 46446913
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide (CID 43005713) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide is COc1cccc(C(CNC(=O)CCCc2cccs2)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is JTNQSLOCKPRNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-25-18-8-4-7-17(15-18)20(23-12-2-3-13-23)16-22-21(24)11-5-9-19-10-6-14-26-19/h4,6-8,10,14-15,20H,2-3,5,9,11-13,16H2,1H3,(H,22,24).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 372.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 43005713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).